1-(4-ethanoyl-5-oxidanylidene-hexyl)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-(4-ethanoyl-5-oxidanylidene-hexyl)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-(4-acetyl-5-oxo-hexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-(4-acetyl-5-oxohexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-(4-acetyl-5-oxohexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-acetyl-5-keto-hexyl)-3,7-dimethyl-xanthine Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C(=O)C

Isomeric SMILES

CC(=O)C(CCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)C(=O)C

InChI

InChI=1S/C15H20N4O4/c1-9(20)11(10(2)21)6-5-7-19-14(22)12-13(16-8-17(12)3)18(4)15(19)23/h8,11H,5-7H2,1-4H3